5-Cyanobenzofuran-2-carboxylic Acid - CAS 84102-75-0
Catalog: |
BB037127 |
Product Name: |
5-Cyanobenzofuran-2-carboxylic Acid |
CAS: |
84102-75-0 |
Synonyms: |
5-cyano-2-benzofurancarboxylic acid; 5-cyano-1-benzofuran-2-carboxylic acid |
IUPAC Name: | 5-cyano-1-benzofuran-2-carboxylic acid |
Description: | 5-Cyanobenzofuran-2-carboxylic Acid (CAS# 84102-75-0) is a useful research chemical compound. |
Molecular Weight: | 187.15 |
Molecular Formula: | C10H5NO3 |
Canonical SMILES: | C1=CC2=C(C=C1C#N)C=C(O2)C(=O)O |
InChI: | InChI=1S/C10H5NO3/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-4H,(H,12,13) |
InChI Key: | UJQXZANNFIHPGV-UHFFFAOYSA-N |
Density: | 1.47 g/cm3 |
MDL: | MFCD09837162 |
LogP: | 2.00268 |
Publication Number | Title | Priority Date |
WO-2011159781-A2 | Bitter taste modulators | 20100617 |
EP-2493844-A2 | Halogenalkyl-substituted amides used as insecticides and acaricides | 20091027 |
JP-2013508432-A | Haloalkyl-substituted amides as insecticides and acaricides | 20091027 |
JP-5851998-B2 | Haloalkyl-substituted amides as insecticides and acaricides | 20091027 |
KR-20120102617-A | Halogenalkyl-substituted amides as pesticides and acaricides | 20091027 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.026943022 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.026943022 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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